Release Notes Version 7 8

Version 7.8 of PLS_Toolbox and Solo was released in June, 2014.

For general product information, see PLS_Toolbox Product Page. For information on Solo, see Solo Product Page.

(back to Release Notes PLS Toolbox and Solo)

New Features in Solo and PLS_Toolbox

ASCA (Analysis of Variance Simultaneous Component Analysis)

• Add new command-line and Analysis Window-based access to ASCA method
• Allows multivariate analysis of designed experiments by creating a PCA model for each of the ANOVA-calculated effect matrices.
• In the Analysis window, user can navigate through each factor's PCA model investigating the magnitude and influenced variables.
• Effect of each factor are reported in the Effects column and in the scores for the PCA model for the particular factor.
• The variable(s) which are significantly influenced by the factor are given by the loadings for the PCA model on that factor.
• Includes a permutation calculator which, when enabled, will report the probability that the given effect is significant (based on randomization of samples within each level of each given factor)

Analysis Interface

• Add ASCA (ANOVA Simultaneous Component Analysis) analysis method
• Add support for "wide" (thick) venetian blinds
• SVM-R / SVM-C: Support all cross-validation methods (not just random)
• Show visual display of cross-validation sample splitting
• Give advice when current cross-validation conditions are non-optimal
• Improve cross-validation speed
• Add "weights" option to PLS and PLSDA to weight samples
• Add showyinbiplot option which allows hiding y-loadings in the Biplot
• Speed improvements for iPLS, iPLSDA, Stepwise MLR
• For two-class PLSDA models, include the average number of samples CORRECT as additional column (translation of fractional error into actual number of samples)
• Add sorting option for dates in cache.
• Allow drag/drop of exported model cache model+data format file into Analysis
• Add "rebuild model" to menu context menu (clear + build)
• Add Matthew's Correlation Coefficient to the output from confusionmatrix (two classes only)
• Calculate and show area under the curve (AUC) for ROC curves
• Calculate and display the min/max/ave percentage of samples left out per cross-validation cycle
• Add ability to automatically create plots when creating a report
• Better exporting of text-based information in Report Writer (e.g. Confusion tables and matrices)
• Always reconcile variables in test set with model, even when the NUMBER of variables matches
• ANN: fix for wrong CV predicted values shown for models with > 1 Node (RMSECV was correct)
• Fix for pointer not always getting set back to arrow

Preprocessing

• Log10: Use an offset AND ignore negative values
• Normalize: Allow normalization with multi-way data
• Arithmetic: Add visual variable selection and clarify other options
• GLSW: Make sure data .include field is applied to external data

Browse

• Align variables (if possible) when joining two datasets in the samples dimension
• Add new drag drop behavior for datasets onto datasets, datasets onto preprocessing, and datasets onto models.
• Add support for F2 = rename selected variable
• Easier to navigate EigenGuide video list and improved handling when new list can't be obtained
• Give option to clear data from base workspace if large data is pushed into Analysis or Image Manager

Dataset Editor

• Add View > Class and Axisscale Summary menu to EditDS (views Class Summary table)
• Add View Boxplot to menus (simple boxplot call)

Importers

• Add new Bruker XRPD importer (.raw file format)
• Improved handling of imports when multiple importers match the file type
• Text graphical import tool - improved support for ignoring data, automatically detecting types, and visibility
• Streamlined importing from GUIs- no longer necessary to select file type first, simply locate and load the file(s) of interest
• Automatically sort filenames into alphabetical order when importing
• Horiba importer (hjyreadr) automatically transpose image so that it matches Horiba's image mode
• Text importer (textreadr):
  • Date format yyyymmddTHHMMSS (datestr format 30) is now recognized automatically
  • Improved handling of small data tables
  • Fix handling of double-quoted label that looks numeric
  • Recognize dates which use spelled out month names
  • Add improved auto-detection of XLS (look for binary file)
• SPC importer (spcreadr):
  • Fix for bug reading files with negative scaling exponents (fexp<0)
  • Fix to better handle files that have binary logs as well as text audit logs
  • Add ability to specify data is an image by including "imagesize=..." and "imageorder=..." in audit log
  • Add ability to specify author and name to be used by including them as key=value pairs in audit log

Plot Controls

• Add scroll-wheel functionality (zoom plot, combine with shift or control to zoom one axes, click and move to pan)
• Add click-to-highlight feature to move a line or class set to the front of the plot
• Add class connect methods "spider" and "means" (connect means of each x)
• Significant improvement to speed of updating when plot control listbox does not need to be repopulated
• Add logic to bring target figure back to focus after docking controls (avoids issue that clicking on figure looses focus on figure)
• Add "automonotonic" flag to plotgui to avoid use of monotonic in "auto" mode unless allowed
• Add density-plot replot on zoom functionality
• Allow ALL options to be seen in settings
• Change connect class toolbar button into a popup menu
• Convert Axis Settings from instant-pop-up to context-menu-based command
• Axis Settings "all fonts" option now changes axes fonts too
• Change class colors base to improve visibility
• Move axis lines and class outlines to bottom of plot order so that right-click controls are not inaccessible
• Exporting figure: add new "resizemode" option to control resizing behavior
• Revise classmarkers to improve speed and automatically tie colors to classcolors

Hierarchical Model Builder

• Add ability to set preferences including whether Q and T2 tests are based on reduced statistics and what thresholds should be used to trigger "otherwise" in PLSDA-based rule nodes
• Add scores as ouptut option for regression models
• Add "on-canvas" display of numerics, strings, errors, and model types
• Added ability to set condition on end points before the content of the end point has been defined
• Improve behavior when overwriting nodes with similar node type
• Allow drag/drop of models onto nodes to overwrite existing rule node WITHOUT changing branches (if possible)
• Allow double-click of model-based rule nodes to open model in Analysis
• Fix for error using "load" toolbar button or menu option
• Add "copy image to clipboard" functionality.

Model Optimizer

• Add R2C, R2CV, and compression information (from ANN and SVM models) to displayed fields

MPCA / PARAFAC

• Allow for single slab input for prediction if sizes of two existing modes match variables for n-way array

Batch Processor

• Fix for manually selecting batch steps.

New Command-line Features and Functions

Command-Line Changes

• anovadoe
  • Fix to force use of center points
  • Use design information to identify center points ONLY (don't infer based on values)
  • Allow input of matrix for y (squelches statistical tests - only reports coefficients)
  • Add calculation of 3-way interactions
  • Calculate the ANOVA decomposition column/matrices as needed for ASCA
• boxplot
  • Fix for bug which would truncate labels to a single character
  • Fix for bug when converting multiple inputs to options structure when one of those inputs was a cell array
  • Revision to logic - give preference to classes in DSO when grouping (if no classes passed) THEN use labels (if no classes present in DSO)
• brukerxrpdreadr -add new Bruker XRPD importer (.raw file format)
• confusionmatrix / confusiontable
  • Handle excluded samples in simca case.
  • Allow cell array of strings to be passed as trueClass and predClass
  • Fix for bug in texttable output when no y is present
• dataset
  • -Add augment method, will create class that tracks augmented dataSets after a concatenation
  • -Add table method, gets text table with labels from DataSet
• Experiment Designer -Add randomize menu item, overhaul options usage, and fix a few bugs with loading a DOE dataset.
• oplecorr -Add new "Optical Path-Length Estimation and Correction" preprocessing (command-line only)
• reviewcrossval - Examines cross-validation settings for typical problems.
• textreadr -Add "catdim" and "autopermute" options to manually control concatenation of multiple files